1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

C24H30N2O5 — CID 95303946

IUPAC1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(Nc1cccc(OC[C@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1
InChIInChI=1S/C24H30N2O5/c27-23-11-2-1-6-18(23)15-26(16-21-9-4-12-29-21)24(28)25-19-7-3-8-20(14-19)31-17-22-10-5-13-30-22/h1-3,6-8,11,14,21-22,27H,4-5,9-10,12-13,15-17H2,(H,25,28)/t21-,22+/m0/s1
InChIKeyZUOYWVJTGOCIAH-FCHUYYIVSA-N
MW426.51 g/mol
LogP4.16
Rot. Bonds8

About 1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea

1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (PubChem CID 95303946) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
PubChem CID95303946
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
SMILESO=C(Nc1cccc(OC[C@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1
InChIInChI=1S/C24H30N2O5/c27-23-11-2-1-6-18(23)15-26(16-21-9-4-12-29-21)24(28)25-19-7-3-8-20(14-19)31-17-22-10-5-13-30-22/h1-3,6-8,11,14,21-22,27H,4-5,9-10,12-13,15-17H2,(H,25,28)/t21-,22+/m0/s1
InChIKeyZUOYWVJTGOCIAH-FCHUYYIVSA-N
XLogP4.16
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(2-hydroxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]pyridine-4-carboxamide
CID 52512224
6-hydroxy-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51964249
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 60520005
1-[(2-methoxyphenyl)methyl]-3-(3-nitrophenyl)-1-(oxolan-2-ylmethyl)urea
CID 60501793
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 60577582
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 17141971
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea (CID 95303946) is 1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is O=C(Nc1cccc(OC[C@H]2CCCO2)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
The InChIKey is ZUOYWVJTGOCIAH-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H30N2O5/c27-23-11-2-1-6-18(23)15-26(16-21-9-4-12-29-21)24(28)25-19-7-3-8-20(14-19)31-17-22-10-5-13-30-22/h1-3,6-8,11,14,21-22,27H,4-5,9-10,12-13,15-17H2,(H,25,28)/t21-,22+/m0/s1.
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea?
1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea has a molecular weight of 426.51 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95303946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).